2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide

C19H13Cl2N5O — CID 59617943

IUPAC2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
SMILESCc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)ccc1C#N
InChIInChI=1S/C19H13Cl2N5O/c1-11-12(10-22)5-6-16(24-11)26-17-9-13(7-8-23-17)25-19(27)18-14(20)3-2-4-15(18)21/h2-9H,1H3,(H2,23,24,25,26,27)
InChIKeyHRAOBTMEWFTXEU-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.96
Rot. Bonds4

About 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide (PubChem CID 59617943) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
PubChem CID59617943
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
SMILESCc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)ccc1C#N
InChIInChI=1S/C19H13Cl2N5O/c1-11-12(10-22)5-6-16(24-11)26-17-9-13(7-8-23-17)25-19(27)18-14(20)3-2-4-15(18)21/h2-9H,1H3,(H2,23,24,25,26,27)
InChIKeyHRAOBTMEWFTXEU-UHFFFAOYSA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672269
2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618575
2,6-dichloro-N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672351
2,6-dichloro-N-[2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672618
2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 70823675
2,6-dichloro-N-[2-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 118720009
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide (CID 59617943) is 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide is Cc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)ccc1C#N.
What is the InChIKey of 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide?
The InChIKey is HRAOBTMEWFTXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-11-12(10-22)5-6-16(24-11)26-17-9-13(7-8-23-17)25-19(27)18-14(20)3-2-4-15(18)21/h2-9H,1H3,(H2,23,24,25,26,27).
What are the key properties of 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide has a molecular weight of 398.25 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59617943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).